About: Conformation changes of polysilanes during the polaron formation.

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Conformation changes of polysilanes during the polaron formation. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Quantum mechanical studies of polaron formation in oligo[methyl(phenyl)silane](QMPSi) was performed. The conformations of the neutral, positively and negatively charged OMPSi were optimized by means of B3LYP method. For the evaluation of the substituent effects, the conformation of the unsubstituted oligosilane chain was also calculated. The negative polaron conformation shows a significant stretching of the chain, whereas the positive polaron conformation is shrunk. Quantum mechanical studies of polaron formation in oligo[methyl(phenyl)silane](QMPSi) was performed. The conformations of the neutral, positively and negatively charged OMPSi were optimized by means of B3LYP method. For the evaluation of the substituent effects, the conformation of the unsubstituted oligosilane chain was also calculated. The negative polaron conformation shows a significant stretching of the chain, whereas the positive polaron conformation is shrunk. (en)
Title	Conformation changes of polysilanes during the polaron formation. Conformation changes of polysilanes during the polaron formation. (en)
skos:prefLabel	Conformation changes of polysilanes during the polaron formation. Conformation changes of polysilanes during the polaron formation. (en)
skos:notation	RIV/61389013:_____/02:55023143!RIV/2003/GA0/A55003/N
http://linked.open.../vavai/riv/strany	327;330
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/99/P009), P(IAA1050901), Z(AV0Z4050913)
http://linked.open...iv/cisloPeriodika	4
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Nešpůrek, Stanislav Toman, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	641582
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/02:55023143
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	polaron; polysilane; quantum chemical calculation (en)
http://linked.open.../riv/klicoveSlovo	polaron polysilane quantum chemical calculation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[2C892E9128DC]
http://linked.open...i/riv/nazevZdroje	Current Applied Physics
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Sigma and pí conjugated polymers: electron structure, molecular morphology, quasiparticle chain defects, charge injection. Theory a experiment. Current modulator based on molecular wire with attached photochromic groups
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	2
http://linked.open...iv/tvurceVysledku	Nešpůrek, Stanislav Toman, Petr Jang, J. W. Lee, C. E.
http://linked.open...n/vavai/riv/zamer	Cílená syntéza a studium chemických, fyzikálně-chemických a fyzikálních vlastností makromolekulárních a nadmolekulárních látek a soustav pro vyspělé technologie
issn	1567-1739
number of pages	4 (xsd:int)

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 84 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software